iterations/neb0_image09_iter31_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.374929438289E+03 0.37493E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.215866848693E+01 -0.37277E+03 -0.36029E+03 882 0.196E+02
DAV: 3 -0.966950584888E+02 -0.98854E+02 -0.98526E+02 656 0.116E+02
DAV: 4 -0.101209182609E+03 -0.45141E+01 -0.45044E+01 688 0.288E+01
DAV: 5 -0.101298015091E+03 -0.88832E-01 -0.88791E-01 736 0.367E+00 0.227E+01
DAV: 6 -0.926339182561E+02 0.86641E+01 -0.30851E+01 712 0.301E+01 0.119E+01
DAV: 7 -0.917663344168E+02 0.86758E+00 -0.17088E+00 728 0.615E+00 0.479E+00
DAV: 8 -0.913927733358E+02 0.37356E+00 -0.53947E-01 712 0.394E+00 0.164E+00
DAV: 9 -0.913100861955E+02 0.82687E-01 -0.13065E-01 704 0.154E+00 0.423E-01
DAV: 10 -0.913013599098E+02 0.87263E-02 -0.43354E-02 768 0.108E+00 0.298E-01
DAV: 11 -0.913060635829E+02 -0.47037E-02 -0.13074E-02 608 0.594E-01 0.153E-01
DAV: 12 -0.913088543059E+02 -0.27907E-02 -0.26106E-03 639 0.238E-01 0.103E-01
DAV: 13 -0.913127502443E+02 -0.38959E-02 -0.17568E-03 661 0.212E-01 0.472E-02
DAV: 14 -0.913162875542E+02 -0.35373E-02 -0.78245E-04 653 0.183E-01 0.330E-02
DAV: 15 -0.913174123464E+02 -0.11248E-02 -0.19239E-04 696 0.846E-02 0.285E-02
DAV: 16 -0.913184109529E+02 -0.99861E-03 -0.20538E-04 666 0.883E-02 0.151E-02
DAV: 17 -0.913190773544E+02 -0.66640E-03 -0.66616E-05 666 0.441E-02 0.127E-02
DAV: 18 -0.913193118833E+02 -0.23453E-03 -0.38112E-05 592 0.320E-02 0.105E-02
DAV: 19 -0.913194393510E+02 -0.12747E-03 -0.23379E-05 474 0.255E-02 0.467E-03
DAV: 20 -0.913194661922E+02 -0.26841E-04 -0.49007E-06 496 0.124E-02 0.300E-03
DAV: 21 -0.913194841724E+02 -0.17980E-04 -0.56196E-06 410 0.151E-02 0.253E-03
DAV: 22 -0.913194928912E+02 -0.87188E-05 -0.15692E-06 469 0.727E-03
1 F= -.91319493E+02 E0= -.91324575E+02 d E =0.152473E-01